4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine

C17H24N2S — CID 63238721

IUPAC4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCc2nc(C)cs2)c1
InChIInChI=1S/C17H24N2S/c1-13-5-4-6-16(11-13)8-7-14(2)18-10-9-17-19-15(3)12-20-17/h4-6,11-12,14,18H,7-10H2,1-3H3
InChIKeyTVQSIFUCVWJVPQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.91
Rot. Bonds7

About 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine

4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (PubChem CID 63238721) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
PubChem CID63238721
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCc2nc(C)cs2)c1
InChIInChI=1S/C17H24N2S/c1-13-5-4-6-16(11-13)8-7-14(2)18-10-9-17-19-15(3)12-20-17/h4-6,11-12,14,18H,7-10H2,1-3H3
InChIKeyTVQSIFUCVWJVPQ-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 106042005
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332236
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (CID 63238721) is 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is Cc1cccc(CCC(C)NCCc2nc(C)cs2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The InChIKey is TVQSIFUCVWJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13-5-4-6-16(11-13)8-7-14(2)18-10-9-17-19-15(3)12-20-17/h4-6,11-12,14,18H,7-10H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 63238721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).